CHEMBL4111934


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C)C(N)=O)c1ccccc1)C2
InChIKey IYGNJGBBKBZIHX-PHNVCRLRSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 557.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 7.4 7.4 7.4 ChEMBL
μ OPRM Human Opioid A pKi 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.54 6.86 7.17 ChEMBL
μ OPRM Human Opioid A pEC50 6.34 6.81 7.28 ChEMBL